General Information of the Compound
| Compound ID |
CP0871784
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| Compound Name |
3-(4-(4-(3-chlorophenyl)piperazin-1-yl)butyl)pyrimido[5,4-c]quinolin-4(3H)-one dihydrochloride
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| Structure |
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| Formula |
C25H29Cl4N5O
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| Molecular Weight |
557.353
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| Canonical SMILES |
Cl.Cl.Cl.O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C25H26ClN5O.3ClH/c26-19-6-5-7-20(16-19)30-14-12-29(13-15-30)10-3-4-11-31-18-28-24-21-8-1-2-9-23(21)27-17-22(24)25(31)32;;;/h1-2,5-9,16-18H,3-4,10-15H2;3*1H
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| InChIKey |
GSWFKDXTAVUMIH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound